tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate

C14H19NO4 — CID 146234658

IUPACtert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1COc2ccccc2[C@@H]1O
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-10-8-18-11-7-5-4-6-9(11)12(10)16/h4-7,10,12,16H,8H2,1-3H3,(H,15,17)/t10-,12-/m0/s1
InChIKeyHYRGSZQKIRGAOB-JQWIXIFHSA-N
MW265.31 g/mol
LogP2.01
Rot. Bonds1

About tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate

tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate (PubChem CID 146234658) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate
PubChem CID146234658
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nametert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1COc2ccccc2[C@@H]1O
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-10-8-18-11-7-5-4-6-9(11)12(10)16/h4-7,10,12,16H,8H2,1-3H3,(H,15,17)/t10-,12-/m0/s1
InChIKeyHYRGSZQKIRGAOB-JQWIXIFHSA-N
XLogP2.01
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate (CID 146234658) is tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1COc2ccccc2[C@@H]1O.
What is the InChIKey of tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate?
The InChIKey is HYRGSZQKIRGAOB-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-10-8-18-11-7-5-4-6-9(11)12(10)16/h4-7,10,12,16H,8H2,1-3H3,(H,15,17)/t10-,12-/m0/s1.
What are the key properties of tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate?
tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate has a molecular weight of 265.31 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate is sourced from PubChem (CID 146234658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).